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79925-05-6 | 1,3-Benzenediol, 4-[10-(acetyloxy)-9-anthracenyl]-, diacetate
CAS No: 79925-05-6 Catalog No: AG0054WF MDL No:
Product Description
Catalog Number:
AG0054WF
Chemical Name:
1,3-Benzenediol, 4-[10-(acetyloxy)-9-anthracenyl]-, diacetate
CAS Number:
79925-05-6
Molecular Formula:
C26H24O8
Molecular Weight:
464.4640
IUPAC Name:
acetic acid;[10-(2,4-dihydroxyphenyl)anthracen-9-yl] acetate
InChI:
InChI=1S/C22H16O4.2C2H4O2/c1-13(23)26-22-17-8-4-2-6-15(17)21(16-7-3-5-9-18(16)22)19-11-10-14(24)12-20(19)25;2*1-2(3)4/h2-12,24-25H,1H3;2*1H3,(H,3,4)
InChI Key:
BVSOFCNMHHRUOA-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c2ccccc2c(c2c1cccc2)c1ccc(cc1O)O.CC(=O)O.CC(=O)O
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.147g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
464.47g/mol
Monoisotopic Mass:
464.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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